B47
methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate
Find entries where: B47
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
|---|---|
| Name | methyl ({5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl}methyl)carbamate |
| Identifiers | methyl N-[[5-[4-(4-hydroxypiperidin-1-yl)-2-phenyl-1,3-thiazol-5-yl]-1H-pyrazol-3-yl]methyl]carbamate |
| Formula | C20 H23 N5 O3 S |
| Molecular Weight | 413.493 |
| Type | NON-POLYMER |
| Isomeric SMILES | COC(=O)NCc1cc([nH]n1)c2c(nc(s2)c3ccccc3)N4CCC(CC4)O |
| InChI | InChI=1S/C20H23N5O3S/c1-28-20(27)21-12-14-11-16(24-23-14)17-18(25-9-7-15(26)8-10-25)22-19(29-17)13-5-3-2-4-6-13/h2-6,11,15,26H,7-10,12H2,1H3,(H,21,27)(H,23,24) |
| InChIKey | GFUMDRBVYNGSBP-UHFFFAOYSA-N |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 52 |
| Chiral Atom Count | 0 |
| Bond Count | 55 |
| Aromatic Bond Count | 18 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 44608008 |
| ChEMBL | CHEMBL1094382 |
